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2,4-Bis(2-methylbenzyl)-5,6-dihydrobenzo[h]quinazoline
SpectraBase Compound ID 2y9Q9wboT1Q
InChI InChI=1S/C28H26N2/c1-19-9-3-5-12-22(19)17-26-25-16-15-21-11-7-8-14-24(21)28(25)30-27(29-26)18-23-13-6-4-10-20(23)2/h3-14H,15-18H2,1-2H3
InChIKey DSISGYYXLRLKSH-UHFFFAOYSA-N
Mol Weight 390.53 g/mol
Molecular Formula C28H26N2
Exact Mass 390.209599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WdZadr3lRw
Name 2,4-bis(2-Methylbenzyl)-5,6-dihydrobenzo[H]quinazoline
Comments Computed using HOSE algorithm
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Exact Mass 390.209598845 u
Formula C28H26N2
InChI InChI=1S/C28H26N2/c1-19-9-3-5-12-22(19)17-26-25-16-15-21-11-7-8-14-24(21)28(25)30-27(29-26)18-23-13-6-4-10-20(23)2/h3-14H,15-18H2,1-2H3
InChIKey DSISGYYXLRLKSH-UHFFFAOYSA-N
Molecular Weight 390.530 g/mol
SMILES C=12C(=C(CC=3C(C)=CC=CC3)N=C(N1)CC=1C(C)=CC=CC1)CCC=1C2=CC=CC1